1-(4-chlorophenyl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanol

Systemtic Name: 1-(4-chlorophenyl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanol Openeye Name: 1-(4-chlorophenyl)-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethanol CAS Name: 1-(4-chlorophenyl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanol IUPAC Name: 1-(4-chlorophenyl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanol Traditional Name: 1-(4-chlorophenyl)-2-(4-tosyl-1,4-diazepan-1-yl)ethanol Formula: C20H25ClN2O3S MolecularWeight: 408.9421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(C3=CC=C(C=C3)Cl)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C20H25ClN2O3S/c1-16-3-9-19(10-4-16)27(25,26)23-12-2-11-22(13-14-23)15-20(24)17-5-7-18(21)8-6-17/h3-10,20,24H,2,11-15H2,1H3